[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone

C19H22N4O4 — CID 131650828

IUPAC[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21)N1CCOCC1
InChIInChI=1S/C19H22N4O4/c24-19(22-3-5-25-6-4-22)16-11-21(10-15-8-20-12-23(15)16)9-14-1-2-17-18(7-14)27-13-26-17/h1-2,7-8,12,16H,3-6,9-11,13H2
InChIKeyFGEASTXKDKXFGM-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.03
Rot. Bonds3

About [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone

[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone (PubChem CID 131650828) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone
PubChem CID131650828
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21)N1CCOCC1
InChIInChI=1S/C19H22N4O4/c24-19(22-3-5-25-6-4-22)16-11-21(10-15-8-20-12-23(15)16)9-14-1-2-17-18(7-14)27-13-26-17/h1-2,7-8,12,16H,3-6,9-11,13H2
InChIKeyFGEASTXKDKXFGM-UHFFFAOYSA-N
XLogP1.03
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 2315916
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912
[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclopropyl]-piperidin-1-ylmethanone
CID 109132229
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone
CID 90513209
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110757203
1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 113005145
N-(1,3-benzodioxol-5-ylmethyl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133289
[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclopropylmethanone
CID 42745633
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexan-1-one
CID 3309155
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 110854151
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 1076416
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(1R)-cyclohex-3-en-1-yl]methanone
CID 31489752

Frequently Asked Questions

What is the IUPAC name of [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone (CID 131650828) is [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone is O=C(C1CN(Cc2ccc3c(c2)OCO3)Cc2cncn21)N1CCOCC1.
What is the InChIKey of [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is FGEASTXKDKXFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-19(22-3-5-25-6-4-22)16-11-21(10-15-8-20-12-23(15)16)9-14-1-2-17-18(7-14)27-13-26-17/h1-2,7-8,12,16H,3-6,9-11,13H2.
What are the key properties of [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone?
[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 370.41 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 131650828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).